CID 4077807

6,7-dimethoxy-4-propylquinazoline

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCCC1=NC=NC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C13H16N2O2/c1-4-5-10-9-6-12(16-2)13(17-3)7-11(9)15-8-14-10/h6-8H,4-5H2,1-3H3
InChIKey
DQHGTGPWVKITMT-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-propylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.4
[M+Na]+ 255.11041 162.3
[M-H]- 231.11391 154.6
[M+NH4]+ 250.15501 169.4
[M+K]+ 271.08435 159.3
[M+H-H2O]+ 215.11845 144.3
[M+HCOO]- 277.11939 173.3
[M+CH3COO]- 291.13504 193.6
[M+Na-2H]- 253.09586 159.6
[M]+ 232.12064 157.5
[M]- 232.12174 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.